![]() ![]() ARMCI_NETWORK must be defined in order to achieve best performance on high performance networks, e.g.įor a single processor system, this environment variable does not have to be defined.NWCHEM_TARGET defines your target platform, e.g.When dealing with source from a NWChem release (6.6 in this example) NWCHEM_TOP defines the top directory of the NWChem source tree, e.g.Setting up the proper environment variables These how-to's will be updated with additional platforms and better environment variables over time. In addition, based on the experiences of developers and users how-to's for various platforms have been created. On this page, a step-by-step description of the build process and necessary and optional environment variables is outlined. 8 How-to: Commodity clusters with Infiniband.5.3.2 Method #2: ARMCI_NETWORK=DMAPP (deprecated).4.3.3 Method #3: using Intel compilers and MKL.4.3.2 Method #2: using gfortran and openmpi from brew.4.3.1 Method #1: using gfortran from hpc.sf.net and mpich from macports.4.3 Compilation of NWChem 6.6 on Mac OS X 10.10 (Yosemite) x86_64.4.2 Compilation of NWChem 6.5 release on Mac OS X 10.9 x86_64.4.1 Compilation of NWChem 6.3 release on Mac OS X 10.7.3.5 NWChem 6.6 on RedHat 6 & EPEL repository.3.1 NWChem 6.6 on Ubuntu 14.04 (Trusty Tahr).1.2 Adding optional environmental variables. ![]() 1.1 Setting up the proper environment variables. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |